Name: Name:methyl 3-(1H-pyrrol-1-yl)-5-(trifluoromethyl)benzoate
Brand: Angene
SKU: AG01EINJ
Rating: 90 (10 reviews)

methyl 3-(1H-pyrrol-1-yl)-5-(trifluoromethyl)benzoate

CAS No.:

350488-53-8

Catalog Number:

AG01EINJ

Molecular Formula:

C13H10F3NO2

Molecular Weight:

269.2192

Catalog Number:

AG01EINJ

Chemical Name:

methyl 3-(1H-pyrrol-1-yl)-5-(trifluoromethyl)benzoate

CAS Number:

350488-53-8

Molecular Formula:

C13H10F3NO2

Molecular Weight:

269.2192

MDL Number:

MFCD31559258

IUPAC Name:

methyl 3-pyrrol-1-yl-5-(trifluoromethyl)benzoate

InChI:

InChI=1S/C13H10F3NO2/c1-19-12(18)9-6-10(13(14,15)16)8-11(7-9)17-4-2-3-5-17/h2-8H,1H3

InChI Key:

CVXNVUSJBDYGDR-UHFFFAOYSA-N

SMILES:

COC(=O)c1cc(cc(c1)C(F)(F)F)n1cccc1

Complexity:

326

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

269.066g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

269.223g/mol

Monoisotopic Mass:

269.066g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

31.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1